N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide

C11H12N4O4S — CID 102693349

IUPACN-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H12N4O4S/c1-7-5-8(2)10(15(16)17)6-9(7)14-20(18,19)11-3-4-12-13-11/h3-6,14H,1-2H3,(H,12,13)
InChIKeyCLCRRWULBDATPD-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.74
Rot. Bonds4

About N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide

N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693349) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide
PubChem CID102693349
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC NameN-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H12N4O4S/c1-7-5-8(2)10(15(16)17)6-9(7)14-20(18,19)11-3-4-12-13-11/h3-6,14H,1-2H3,(H,12,13)
InChIKeyCLCRRWULBDATPD-UHFFFAOYSA-N
XLogP1.74
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692966
3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692470
3-bromo-N-(2,4-dimethyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 104757885
N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide
CID 104815465
N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691391
N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692709
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960
2,4-dimethyl-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 122147055
N-(4-amino-2-methyl-5-nitrophenyl)-4-methylbenzenesulfonamide
CID 18413392
2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 107806177
N-(2-fluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691575
N-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102693474

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide (CID 102693349) is N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide is Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is CLCRRWULBDATPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-7-5-8(2)10(15(16)17)6-9(7)14-20(18,19)11-3-4-12-13-11/h3-6,14H,1-2H3,(H,12,13).
What are the key properties of N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide?
N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).